Chemical Properties of Phthalic acid, 2-(4-bromophenoxy)ethyl decyl ester

InChI

InChI=1S/C26H33BrO5/c1-2-3-4-5-6-7-8-11-18-31-25(28)23-12-9-10-13-24(23)26(29)32-20-19-30-22-16-14-21(27)15-17-22/h9-10,12-17H,2-8,11,18-20H2,1H3

InChI Key

HEZHFQSXHGLOLG-UHFFFAOYSA-N

Formula

C26H33BrO5

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCOc1ccc(Br)cc1

Molecular Weight¹

505.44

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2191		Relay (1.0) Calculated Property
ΔfH°gas	-831.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.61	kJ/mol	Joback Calculated Property
ΔvapH°	135.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.97		Relay (1.0) Calculated Property
logPoct/wat	6.982		Crippen Calculated Property
McVol	367.930	ml/mol	McGowan Calculated Property
Pc	1096.44	kPa	Joback Calculated Property
Inp	[3434.00; 3434.00]
Inp	3434.00		NIST
Inp	3434.00		NIST
Tboil	745.29	K	Relay (1.0) Calculated Property
Tc	969.37	K	Relay (1.0) Calculated Property
Tfus	305.49	K	Relay (1.0) Calculated Property
Vc	1.347	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1182.64; 1224.89]	J/mol×K	[1062.82; 1301.40]
Cp,gas	1182.64	J/mol×K	1062.82	Joback Calculated Property
Cp,gas	1193.79	J/mol×K	1102.58	Joback Calculated Property
Cp,gas	1203.21	J/mol×K	1142.35	Joback Calculated Property
Cp,gas	1210.97	J/mol×K	1182.11	Joback Calculated Property
Cp,gas	1217.13	J/mol×K	1221.87	Joback Calculated Property
Cp,gas	1221.75	J/mol×K	1261.63	Joback Calculated Property
Cp,gas	1224.89	J/mol×K	1301.40	Joback Calculated Property
η	[0.0000098; 0.0001263]	Pa×s	[627.35; 1062.82]
η	0.0001263	Pa×s	627.35	Joback Calculated Property
η	0.0000662	Pa×s	699.93	Joback Calculated Property
η	0.0000392	Pa×s	772.51	Joback Calculated Property
η	0.0000254	Pa×s	845.09	Joback Calculated Property
η	0.0000176	Pa×s	917.66	Joback Calculated Property
η	0.0000129	Pa×s	990.24	Joback Calculated Property
η	0.0000098	Pa×s	1062.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl decyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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